2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol

C12H18F3N3O — CID 67112090

IUPAC2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol
SMILESOCCn1cc(CC(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)7-10-8-18(5-6-19)11(17-10)9-1-3-16-4-2-9/h8-9,16,19H,1-7H2
InChIKeySBRUNRJGFSQQNY-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.45
Rot. Bonds4

About 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol

2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol (PubChem CID 67112090) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol
PubChem CID67112090
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol
SMILESOCCn1cc(CC(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)7-10-8-18(5-6-19)11(17-10)9-1-3-16-4-2-9/h8-9,16,19H,1-7H2
InChIKeySBRUNRJGFSQQNY-UHFFFAOYSA-N
XLogP1.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol (CID 67112090) is 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol is OCCn1cc(CC(F)(F)F)nc1C1CCNCC1.
What is the InChIKey of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol?
The InChIKey is SBRUNRJGFSQQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)7-10-8-18(5-6-19)11(17-10)9-1-3-16-4-2-9/h8-9,16,19H,1-7H2.
What are the key properties of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol?
2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol has a molecular weight of 277.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol is sourced from PubChem (CID 67112090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).